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Compound Detail

CHEMBL3775475

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CCCCCCNC(=O)Oc1ccc(-c2ccc(C(C)C(=O)O)cc2F)cc1

Basic Information

ChEMBL ID CHEMBL3775475
Phase Preclinical
Structure Type MOL
InChI Key YCFFSPSATZVPRQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
5.35
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.57
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26FNO4
MW 387.45
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.42

Activity Summary

IC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 7.17 7.17 68.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26774927 10.1016/j.ejmech.2015.12.036 Fatty-acid amide hydrolase 1 1
26774927 10.1016/j.ejmech.2015.12.036 Prostaglandin G/H synthase 1 1
26774927 10.1016/j.ejmech.2015.12.036 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine